N-(4-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

C24H21N3O3 — CID 10135552

IUPACN-(4-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cc(-c4nnc(C)o4)ccc3C)cc2)cc1
InChIInChI=1S/C24H21N3O3/c1-15-4-5-19(24-27-26-16(2)30-24)14-22(15)17-6-8-18(9-7-17)23(28)25-20-10-12-21(29-3)13-11-20/h4-14H,1-3H3,(H,25,28)
InChIKeyUHBZCEYZFPBQEU-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.28
Rot. Bonds5

About N-(4-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

N-(4-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 10135552) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID10135552
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-(4-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3cc(-c4nnc(C)o4)ccc3C)cc2)cc1
InChIInChI=1S/C24H21N3O3/c1-15-4-5-19(24-27-26-16(2)30-24)14-22(15)17-6-8-18(9-7-17)23(28)25-20-10-12-21(29-3)13-11-20/h4-14H,1-3H3,(H,25,28)
InChIKeyUHBZCEYZFPBQEU-UHFFFAOYSA-N
XLogP5.28
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide
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N-[(3-methoxyphenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10158652
N-[(4-methoxyphenyl)methyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
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4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[3-(methylcarbamoyl)phenyl]benzamide
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2'-Methyl-4'-(5-methyl-[1,3,4]oxadiazol-2-yl)-biphenyl-4-carboxylic acid [4-hydroxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide
CID 10624680
N-(2-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 25093462
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 10135552) is N-(4-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is COc1ccc(NC(=O)c2ccc(-c3cc(-c4nnc(C)o4)ccc3C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is UHBZCEYZFPBQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-15-4-5-19(24-27-26-16(2)30-24)14-22(15)17-6-8-18(9-7-17)23(28)25-20-10-12-21(29-3)13-11-20/h4-14H,1-3H3,(H,25,28).
What are the key properties of N-(4-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
N-(4-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 10135552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).